4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one

C10H16O4 — CID 15686146

IUPAC4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
SMILESCCCCC1(O)C(=O)C(OC)=C1OC
InChIInChI=1S/C10H16O4/c1-4-5-6-10(12)8(11)7(13-2)9(10)14-3/h12H,4-6H2,1-3H3
InChIKeyDDIHPXFYKNDUKI-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.99
Rot. Bonds5

About 4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one

4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one (PubChem CID 15686146) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one.

Molecular Properties

Compound Name4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
PubChem CID15686146
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
SMILESCCCCC1(O)C(=O)C(OC)=C1OC
InChIInChI=1S/C10H16O4/c1-4-5-6-10(12)8(11)7(13-2)9(10)14-3/h12H,4-6H2,1-3H3
InChIKeyDDIHPXFYKNDUKI-UHFFFAOYSA-N
XLogP0.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Diethoxy-4-hydroxy-4-(2-methylallyl)cyclobut-2-en-1-one
CID 394535
Triacetylgalactal
CID 20576821
Triacetyl glucal
CID 22843480
1-[(2R,3R,4R)-4,6-bis(2-deuterioacetyl)-3,4-dihydroxy-2-(hydroxymethyl)-2,3-dihydropyran-5-yl]-2-deuterioethanone
CID 129668213
4-Hydroxy-2-(1-hydroxybutyl)-2,5-dimethylfuran-3(2H)-one
CID 103579
4-Butyl-2,3-diethoxy-4-hydroxycyclobut-2-en-1-one
CID 14112420
4-Tert-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 14112421
4-(Cyclohexen-1-yl)-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one
CID 121003403
Triacetyl-D-galactal
CID 129654787
4-Butyl-4-hydroxy-2,3-bis[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
CID 155931920
4-Ethyl-4-hydroxy-2,3-bis[(2-methylpropan-2-yl)oxy]cyclobut-2-en-1-one
CID 155932016
2-Butyl-4-hydroxy-3-methoxy-4-prop-2-enylcyclobut-2-en-1-one
CID 14593189

Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
The IUPAC name of 4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one (CID 15686146) is 4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one.
What is the SMILES notation for 4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
The canonical SMILES for 4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one is CCCCC1(O)C(=O)C(OC)=C1OC.
What is the InChIKey of 4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
The InChIKey is DDIHPXFYKNDUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-5-6-10(12)8(11)7(13-2)9(10)14-3/h12H,4-6H2,1-3H3.
What are the key properties of 4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one?
4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one has a molecular weight of 200.23 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-hydroxy-2,3-dimethoxycyclobut-2-en-1-one is sourced from PubChem (CID 15686146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).